Search the PBPK Model Repository

Quickly find freely available drug and population models in our PBPK model repository.

The models provided have been collated from published examples which authors have shared in our Published Model Collection or developed as part of various global health projects in our Global Health Collection. This search facility searches both model collections simultaneously.

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Found 155 Matches

Darunavir&Ritonavir_V13R2_USFDA_20190719
Compound files from publication: Physiologically Based Pharmacokinetic Modeling for Predicting the Effect of Intrinsic and Extrinsic Factors on Darunavir or Lopinavir Exposure Coadministered With Ritonavir Wagner, C., Zhao, P., Arya, V., Mullick, C., Struble, K. and Au, S (2017). https://doi.org/10.1002/jcph.936 /PMID: 28569994 These two files were used in combination (linked models). Note: Darunavir model also has fu,mic for DDI, and induction parameters for CYP1A that were not captured in Supplemental Table 1. Correction: Ritonavir's pKa2 should be 2.6 instead of 2.8 in Suppl. Table 1. https://accp1.onlinelibrary.wiley.com/doi/full/10.1002/jcph.936
Paclitaxel_RES_V17R1_Simcyp_20180228

Simcyp developed Paclitaxel compound file. Compound summary included. This was developed as a research file and its current status and limitations are outlined in summary document.

Enfuviridine

Brand Name(s) include: Fuzeon

Disease: HIV

Drug Class: HIV Entry and Fusion Inhibitor

Date of Review: 2020

Number of Models Reviewed: 1

Number of Models added to the Repository: 1

The model at-a-glance

 Publication

Pan, X., Stader, F., Abduljalil, K., Gill, K. L., Johnson, T. N., Gardner, I., & Jamei, M. (2020). Development and Application of a Physiologically-Based Pharmacokinetic Model to Predict the Pharmacokinetics of Therapeutic Proteins from Full-term Neonates to Adolescents. The AAPS journal, 22(4), 76.

 Simcyp Version

V18

 Published Model Application

Prediction of exposure in noenates

 Absorption Model

First Order

 Volume of Distribution Details

Full PBPK

 Route of Elimination

  • Renal filtration
  • Additional systemic clearance

 Perpetrator DDI

  • None 

 Advantages and Limitations

  • Model was developed to predict the PK of enfuviridine in neonates and adolescents.
  • Model was verified in adult and pediatric populations.
  • Model was verified for IV and subcutaneous dosing.
  • Model was developed in V18.  Due to changes in the Simulator, the model would need to be revalidated for use in V20 and subsequent versions.

 Model Compound Files

  • v18_res_enfuviridine_simcyp_pan
  • v18_res_enfuviridine_simcyp_pan_sc_paed

Brand Name(s) include: Kaletra (fixed dose combination with low dose ritonavir)

Disease: HIV

Drug Class: Protease inhibitor

Date of Review: 2020

Number of Models Reviewed: 1

Number of Models added to the Repository: 1

The model at-a-glance

 Publication

Wagner et al., Physiologically-Based Pharmacokinetic Modeling for Predicting the Effect of Intrinsic and Extrinsic Factors on Darunavir or Lopinavir Exposure Co-administered with Ritonavir. J Clin Pharmacol. 2017 October ; 57(10): 1295–1304.  (FDA model)

 Simcyp Version

V13

 Absorption Model

First-Order 

 Volume of Distribution Details

Minimal PBPK

 Route of Elimination

  • CYP3A4 and renal clearance

 Perpetrator DDI

  • CYP3A4 time-dependent inhibitor
  • CYP3A5 time-dependent inhibitor

 Advantages and Limitations

  • Model developed to predict the impact of hepatic impairment on lopinavir PK.
  • Accurately replicates 400 mg dose (therapeutic dose). Overprediction of 200 mg dose and underprediction of 800 mg single dose.
  • DDI with ritonavir works with ritonavir file published in V18, but not the updated V19 file.
  • Perpetrator DDI not verified.

 Model Compound Files

  • v13_res_lopinavir_simcyp_wagner
  • v13_res_ritonavir_simcyp_wagner

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